Structure of PDB 4yhg Chain A Binding Site BS01

Receptor Information
>4yhg Chain A (length=389) Species: 1534322 (Bacteroidetes bacterium AC2a) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPMDNEAVQFGMSMGIGWNLGNQMDAHYDGCSYETGWGNKAATQQTFNGL
AKAGFRSVRIPVTWMGHIGNAPTYAIERGWLDRVDELVHMAHKAGLIVII
NIHHDGFGAADTPSKGSHWLDLPAAVASEERNQLIKQELTMIWLQIGKRF
ANDGEWLVFETLNAIQDGDWGNGNNRRDGGAQYRVLNEWNQVCVDAIRAA
GGKNETRYIGVPGYVCNPDLTVENLVLPEDVVPNRLMVAVHSYDPWDYAG
SAKYNEWGHTGKDVVPGVGEEAYVGMLNRLFNMYIRRGVPVYFGEFGAVR
RASKADEEFRLYYFRYICKAMRDRRISALYWDNGNSKAGNDGFGVIDHAT
GRFIGNGEQAVRAMIDSWENNDPNYTLQSIYDSAPESSR
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain4yhg Chain C Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yhg Structural Features of a Bacteroidetes-Affiliated Cellulase Linked with a Polysaccharide Utilization Locus.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H111 H112 N171 E303 W339
Binding residue
(residue number reindexed from 1)		H103 H104 N163 E295 W331
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0009251 glucan catabolic process
Cellular Component
GO:0005576 extracellular region
GO:0009986 cell surface

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4yhg, PDBe:4yhg, PDBj:4yhg
PDBsum4yhg
PubMed26133573
UniProtA0A076MPD7

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